data_nef_c30216_5u9y save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30211 BMRB 30212 BMRB 30213 BMRB 30214 BMRB 30215 BMRB 30217 BMRB 30218 BMRB 30219 PDB 5U9Y stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 25 LEU C 1 26 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 VAL middle . . 3 A 3 VAL middle . . 4 A 4 ASP middle . . 5 A 5 ILE middle . . 6 A 6 LEU middle . . 7 A 7 LYS middle . . 8 A 8 GLY middle . false 9 A 9 ALA middle . . 10 A 10 ALA middle . . 11 A 11 LYS middle . . 12 A 12 ASP middle . . 13 A 13 ILE middle . . 14 A 14 ALA middle . . 15 A 15 GLY middle . false 16 A 16 HIS middle . . 17 A 17 LEU middle . . 18 A 18 ALA middle . . 19 A 19 SER middle . . 20 A 20 LYS middle . . 21 A 21 VAL middle . . 22 A 22 MET middle . . 23 A 23 ASN middle . . 24 A 24 LYS middle . . 25 A 25 LEU middle -OXT . 26 A 26 NH2 end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAy H 1 4.093 . A 1 GLY HAx H 1 3.964 . A 1 GLY CA C 13 43.471 . A 2 VAL H H 1 9.477 . A 2 VAL HA H 1 3.667 . A 2 VAL HB H 1 2.151 . A 2 VAL HGx% H 1 1.099 . A 2 VAL HGy% H 1 0.963 . A 2 VAL CA C 13 66.743 . A 2 VAL CB C 13 32.091 . A 2 VAL CGy C 13 22.902 . A 2 VAL CGx C 13 21.480 . A 2 VAL N N 15 122.385 . A 3 VAL H H 1 8.876 . A 3 VAL HA H 1 3.532 . A 3 VAL HB H 1 2.095 . A 3 VAL HGx% H 1 1.067 . A 3 VAL HGy% H 1 0.959 . A 3 VAL CA C 13 67.701 . A 3 VAL CB C 13 30.973 . A 3 VAL CGy C 13 23.895 . A 3 VAL CGx C 13 21.489 . A 3 VAL N N 15 119.577 . A 4 ASP H H 1 7.703 . A 4 ASP HA H 1 4.327 . A 4 ASP HBy H 1 2.768 . A 4 ASP HBx H 1 2.708 . A 4 ASP CA C 13 57.618 . A 4 ASP CB C 13 40.669 . A 4 ASP N N 15 118.180 . A 5 ILE H H 1 7.799 . A 5 ILE HA H 1 3.832 . A 5 ILE HB H 1 2.055 . A 5 ILE HD1% H 1 0.848 . A 5 ILE HG1y H 1 1.728 . A 5 ILE HG1x H 1 1.235 . A 5 ILE HG2% H 1 0.909 . A 5 ILE CA C 13 64.377 . A 5 ILE CB C 13 37.859 . A 5 ILE CD1 C 13 13.954 . A 5 ILE CG2 C 13 17.774 . A 5 ILE N N 15 122.560 . A 6 LEU H H 1 8.302 . A 6 LEU HA H 1 4.018 . A 6 LEU HBy H 1 1.815 . A 6 LEU HBx H 1 1.590 . A 6 LEU HDx% H 1 0.857 . A 6 LEU HDy% H 1 0.819 . A 6 LEU HG H 1 1.923 . A 6 LEU CA C 13 58.141 . A 6 LEU CB C 13 42.462 . A 6 LEU CDy C 13 26.397 . A 6 LEU CDx C 13 23.247 . A 6 LEU CG C 13 26.775 . A 6 LEU N N 15 120.386 . A 7 LYS H H 1 8.642 . A 7 LYS HA H 1 3.846 . A 7 LYS HBy H 1 1.940 . A 7 LYS HBx H 1 1.869 . A 7 LYS HDx H 1 1.731 . A 7 LYS HEy H 1 2.912 . A 7 LYS HEx H 1 2.818 . A 7 LYS HGy H 1 1.501 . A 7 LYS HGx H 1 1.278 . A 7 LYS CA C 13 60.706 . A 7 LYS CB C 13 33.140 . A 7 LYS CD C 13 28.608 . A 7 LYS CE C 13 42.076 . A 7 LYS CG C 13 24.889 . A 7 LYS N N 15 117.961 . A 8 GLY H H 1 8.003 . A 8 GLY HAy H 1 3.920 . A 8 GLY HAx H 1 3.842 . A 8 GLY CA C 13 47.248 . A 8 GLY N N 15 105.843 . A 9 ALA H H 1 8.332 . A 9 ALA HA H 1 4.240 . A 9 ALA HB% H 1 1.500 . A 9 ALA CA C 13 54.679 . A 9 ALA CB C 13 18.754 . A 9 ALA N N 15 124.632 . A 10 ALA H H 1 8.438 . A 10 ALA HA H 1 3.929 . A 10 ALA HB% H 1 1.500 . A 10 ALA CA C 13 55.515 . A 10 ALA CB C 13 18.559 . A 11 LYS H H 1 8.111 . A 11 LYS HA H 1 3.897 . A 11 LYS HBx H 1 1.948 . A 11 LYS HDx H 1 1.727 . A 11 LYS HEx H 1 2.919 . A 11 LYS HGy H 1 1.636 . A 11 LYS HGx H 1 1.415 . A 11 LYS CA C 13 60.088 . A 11 LYS CB C 13 33.107 . A 11 LYS CD C 13 28.848 . A 11 LYS CE C 13 42.026 . A 11 LYS CG C 13 25.840 . A 11 LYS N N 15 116.869 . A 12 ASP H H 1 8.054 . A 12 ASP HA H 1 4.505 . A 12 ASP HBy H 1 3.052 . A 12 ASP HBx H 1 2.890 . A 12 ASP CA C 13 55.529 . A 12 ASP CB C 13 38.627 . A 12 ASP N N 15 119.270 . A 13 ILE H H 1 8.454 . A 13 ILE HA H 1 3.763 . A 13 ILE HB H 1 1.961 . A 13 ILE HD1% H 1 0.827 . A 13 ILE HG1y H 1 1.821 . A 13 ILE HG1x H 1 1.104 . A 13 ILE HG2% H 1 0.910 . A 13 ILE CA C 13 64.961 . A 13 ILE CB C 13 38.406 . A 13 ILE CD1 C 13 14.032 . A 13 ILE CG1 C 13 29.413 . A 13 ILE CG2 C 13 17.774 . A 13 ILE N N 15 119.970 . A 14 ALA H H 1 8.519 . A 14 ALA HA H 1 3.972 . A 14 ALA HB% H 1 1.510 . A 14 ALA CA C 13 55.508 . A 14 ALA CB C 13 18.288 . A 14 ALA N N 15 122.089 . A 15 GLY H H 1 8.323 . A 15 GLY HAy H 1 4.026 . A 15 GLY HAx H 1 3.836 . A 15 GLY CA C 13 46.932 . A 15 GLY N N 15 104.099 . A 16 HIS H H 1 7.989 . A 16 HIS HA H 1 4.584 . A 16 HIS HBx H 1 3.315 . A 16 HIS HD2 H 1 7.291 . A 16 HIS CB C 13 28.830 . A 16 HIS N N 15 118.644 . A 17 LEU H H 1 8.296 . A 17 LEU HA H 1 4.187 . A 17 LEU HBy H 1 1.817 . A 17 LEU HBx H 1 1.594 . A 17 LEU HDx% H 1 0.886 . A 17 LEU HDy% H 1 0.850 . A 17 LEU CA C 13 57.095 . A 17 LEU CB C 13 42.410 . A 17 LEU CDy C 13 25.855 . A 17 LEU CDx C 13 24.083 . A 17 LEU N N 15 119.512 . A 18 ALA H H 1 8.500 . A 18 ALA HA H 1 3.959 . A 18 ALA HB% H 1 1.510 . A 18 ALA CA C 13 55.496 . A 18 ALA CB C 13 18.559 . A 18 ALA N N 15 121.269 . A 19 SER H H 1 8.139 . A 19 SER HA H 1 4.173 . A 19 SER HBx H 1 3.941 . A 19 SER CA C 13 55.647 . A 19 SER CB C 13 62.811 . A 19 SER N N 15 112.266 . A 20 LYS H H 1 7.793 . A 20 LYS HA H 1 4.178 . A 20 LYS HBy H 1 1.982 . A 20 LYS HBx H 1 1.882 . A 20 LYS HDx H 1 1.729 . A 20 LYS HEx H 1 2.908 . A 20 LYS HGy H 1 1.516 . A 20 LYS HGx H 1 1.475 . A 20 LYS CA C 13 58.545 . A 20 LYS CB C 13 32.432 . A 20 LYS CD C 13 30.303 . A 20 LYS CE C 13 42.026 . A 20 LYS CG C 13 25.356 . A 20 LYS N N 15 121.225 . A 21 VAL H H 1 8.017 . A 21 VAL HA H 1 3.695 . A 21 VAL HB H 1 2.176 . A 21 VAL HGx% H 1 1.007 . A 21 VAL HGy% H 1 0.912 . A 21 VAL CA C 13 65.928 . A 21 VAL CB C 13 32.122 . A 21 VAL CGy C 13 22.802 . A 21 VAL CGx C 13 21.813 . A 21 VAL N N 15 117.459 . A 22 MET H H 1 8.348 . A 22 MET HA H 1 4.199 . A 22 MET HBx H 1 2.119 . A 22 MET HGy H 1 2.703 . A 22 MET HGx H 1 2.568 . A 22 MET CA C 13 58.098 . A 22 MET CB C 13 31.819 . A 22 MET CG C 13 32.516 . A 22 MET N N 15 117.980 . A 23 ASN H H 1 8.145 . A 23 ASN HA H 1 4.491 . A 23 ASN HBy H 1 2.896 . A 23 ASN HBx H 1 2.804 . A 23 ASN HD2y H 1 7.660 . A 23 ASN HD2x H 1 6.935 . A 23 ASN CA C 13 55.556 . A 23 ASN CB C 13 38.757 . A 23 ASN N N 15 116.977 . A 23 ASN ND2 N 15 112.439 . A 24 LYS H H 1 7.753 . A 24 LYS HA H 1 4.240 . A 24 LYS HBx H 1 1.934 . A 24 LYS HDx H 1 1.729 . A 24 LYS HEx H 1 2.909 . A 24 LYS HGy H 1 1.538 . A 24 LYS HGx H 1 1.470 . A 24 LYS CA C 13 57.055 . A 24 LYS CB C 13 32.733 . A 24 LYS CD C 13 29.637 . A 24 LYS CE C 13 42.026 . A 24 LYS CG C 13 24.826 . A 24 LYS N N 15 118.634 . A 25 LEU H H 1 7.822 . A 25 LEU HA H 1 4.178 . A 25 LEU HBy H 1 1.769 . A 25 LEU HBx H 1 1.584 . A 25 LEU HDx% H 1 0.895 . A 25 LEU HDy% H 1 0.848 . A 25 LEU HG H 1 1.805 . A 25 LEU CB C 13 42.779 . A 25 LEU CDy C 13 25.330 . A 25 LEU CDx C 13 23.274 . A 25 LEU CG C 13 27.093 . A 25 LEU N N 15 118.297 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 VAL H A 1 GLY HAx 1.0 1.8 5.5 2 2 A 2 VAL H A 1 GLY HAx 1.0 1.8 5.5 3 3 A 2 VAL H A 1 GLY HAy 1.0 1.8 5.5 4 4 A 2 VAL H A 1 GLY HAy 1.0 1.8 5.5 5 5 A 2 VAL HB A 2 VAL HA 1.0 1.8 3.4 6 6 A 2 VAL HB A 2 VAL HA 1.0 1.8 2.8 7 7 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.5 8 8 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.5 9 9 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 5.5 10 10 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 3.4 11 11 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.5 12 12 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.5 13 13 A 2 VAL HB A 2 VAL HGy% 1.0 1.8 3.4 14 14 A 2 VAL HB A 2 VAL HGy% 1.0 1.8 5.5 15 15 A 2 VAL H A 2 VAL HA 1.0 1.8 5.5 16 16 A 2 VAL H A 2 VAL HA 1.0 1.8 3.4 17 17 A 2 VAL H A 2 VAL HB 1.0 1.8 5.5 18 18 A 2 VAL H A 2 VAL HGx% 1.0 1.8 5.5 19 19 A 2 VAL H A 2 VAL HGx% 1.0 1.8 5.5 20 20 A 2 VAL H A 2 VAL HGy% 1.0 1.8 5.5 21 21 A 2 VAL H A 2 VAL HGy% 1.0 1.8 5.5 22 22 A 1 GLY HAx A 3 VAL H 1.0 1.8 5.5 23 23 A 1 GLY HAy A 3 VAL H 1.0 1.8 5.5 24 24 A 2 VAL HA A 3 VAL H 1.0 1.8 5.5 25 25 A 2 VAL HA A 3 VAL H 1.0 1.8 5.5 26 26 A 2 VAL HB A 3 VAL H 1.0 1.8 2.8 27 27 A 2 VAL HB A 3 VAL H 1.0 1.8 5.5 28 28 A 2 VAL H A 3 VAL H 1.0 1.8 5.5 29 29 A 3 VAL HA A 3 VAL HB 1.0 1.8 3.4 30 30 A 3 VAL HA A 3 VAL HB 1.0 1.8 3.4 31 31 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 3.4 32 32 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 3.4 33 33 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 5.5 34 34 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 3.4 35 35 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 3.4 36 36 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 3.4 37 37 A 3 VAL HB A 3 VAL HGy% 1.0 1.8 3.4 38 38 A 3 VAL HB A 3 VAL HGy% 1.0 1.8 3.4 39 39 A 3 VAL H A 3 VAL HA 1.0 1.8 3.4 40 40 A 3 VAL H A 3 VAL HA 1.0 1.8 3.4 41 41 A 3 VAL H A 3 VAL HB 1.0 1.8 5.5 42 42 A 3 VAL H A 3 VAL HB 1.0 1.8 2.8 43 43 A 3 VAL H A 3 VAL HGx% 1.0 1.8 5.5 44 44 A 3 VAL H A 3 VAL HGx% 1.0 1.8 5.5 45 45 A 3 VAL H A 3 VAL HGy% 1.0 1.8 5.5 46 46 A 3 VAL H A 3 VAL HGy% 1.0 1.8 5.5 47 47 A 2 VAL HA A 4 ASP H 1.0 1.8 5.5 48 48 A 2 VAL HA A 4 ASP H 1.0 1.8 5.5 49 49 A 3 VAL HA A 4 ASP H 1.0 1.8 5.5 50 50 A 3 VAL HA A 4 ASP H 1.0 1.8 5.5 51 51 A 3 VAL HB A 4 ASP H 1.0 1.8 5.5 52 52 A 3 VAL HB A 4 ASP H 1.0 1.8 3.4 53 53 A 3 VAL HGx% A 4 ASP H 1.0 1.8 5.5 54 54 A 3 VAL HGx% A 4 ASP H 1.0 1.8 5.5 55 55 A 3 VAL HGy% A 4 ASP H 1.0 1.8 5.5 56 56 A 3 VAL HGy% A 4 ASP H 1.0 1.8 5.5 57 57 A 3 VAL H A 4 ASP H 1.0 1.8 5.5 58 58 A 3 VAL H A 4 ASP H 1.0 1.8 3.4 59 59 A 4 ASP HBx A 4 ASP HA 1.0 1.8 3.4 60 60 A 4 ASP HBx A 4 ASP HA 1.0 1.8 5.5 61 61 A 4 ASP HA A 4 ASP HBy 1.0 1.8 5.5 62 62 A 4 ASP H A 4 ASP HA 1.0 1.8 3.4 63 63 A 4 ASP H A 4 ASP HA 1.0 1.8 5.5 64 64 A 4 ASP H A 4 ASP HBx 1.0 1.8 3.4 65 65 A 4 ASP H A 4 ASP HBy 1.0 1.8 5.5 66 66 A 4 ASP H A 4 ASP HBy 1.0 1.8 3.4 67 67 A 2 VAL HA A 5 ILE HB 1.0 1.8 3.4 68 68 A 2 VAL HA A 5 ILE HB 1.0 1.8 3.4 69 69 A 2 VAL HA A 5 ILE H 1.0 1.8 5.5 70 70 A 2 VAL HA A 5 ILE H 1.0 1.8 5.5 71 71 A 3 VAL HA A 5 ILE H 1.0 1.8 5.5 72 72 A 3 VAL HA A 5 ILE H 1.0 1.8 5.5 73 73 A 4 ASP HA A 5 ILE H 1.0 1.8 5.5 74 74 A 4 ASP HA A 5 ILE H 1.0 1.8 5.5 75 75 A 4 ASP HBx A 5 ILE H 1.0 1.8 5.5 76 76 A 4 ASP HBx A 5 ILE H 1.0 1.8 5.5 77 77 A 4 ASP HBy A 5 ILE H 1.0 1.8 5.5 78 78 A 4 ASP HBy A 5 ILE H 1.0 1.8 5.5 79 79 A 4 ASP H A 5 ILE H 1.0 1.8 2.8 80 80 A 4 ASP H A 5 ILE H 1.0 1.8 2.8 81 81 A 5 ILE HB A 5 ILE HA 1.0 1.8 3.4 82 82 A 5 ILE HB A 5 ILE HA 1.0 1.8 5.5 83 83 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.5 84 84 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.5 85 85 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.5 86 86 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.5 87 87 A 5 ILE HA A 5 ILE HG1x 1.0 1.8 2.8 88 88 A 5 ILE HA A 5 ILE HG1x 1.0 1.8 5.5 89 89 A 5 ILE HD1% A 5 ILE HG1x 1.0 1.8 5.5 90 90 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 5.5 91 91 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 5.5 92 92 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 3.4 93 93 A 5 ILE HB A 5 ILE HG2% 1.0 1.8 5.5 94 94 A 5 ILE HB A 5 ILE HG2% 1.0 1.8 5.5 95 95 A 5 ILE HG1x A 5 ILE HG2% 1.0 1.8 5.5 96 96 A 5 ILE H A 5 ILE HA 1.0 1.8 3.4 97 97 A 5 ILE H A 5 ILE HA 1.0 1.8 3.4 98 98 A 5 ILE HB A 5 ILE H 1.0 1.8 3.4 99 99 A 5 ILE HB A 5 ILE H 1.0 1.8 3.4 100 100 A 5 ILE H A 5 ILE HD1% 1.0 1.8 5.5 101 101 A 5 ILE H A 5 ILE HG1x 1.0 1.8 5.5 102 102 A 5 ILE H A 5 ILE HG2% 1.0 1.8 5.5 103 103 A 2 VAL HA A 6 LEU H 1.0 1.8 5.5 104 104 A 2 VAL HA A 6 LEU H 1.0 1.8 5.5 105 105 A 3 VAL HA A 6 LEU H 1.0 1.8 5.5 106 106 A 3 VAL HA A 6 LEU H 1.0 1.8 5.5 107 107 A 4 ASP HA A 6 LEU H 1.0 1.8 5.5 108 108 A 4 ASP H A 6 LEU H 1.0 1.8 5.5 109 109 A 5 ILE HA A 6 LEU H 1.0 1.8 5.5 110 110 A 5 ILE HB A 6 LEU H 1.0 1.8 5.5 111 111 A 5 ILE HB A 6 LEU H 1.0 1.8 5.5 112 112 A 5 ILE H A 6 LEU H 1.0 1.8 5.5 113 113 A 5 ILE H A 6 LEU H 1.0 1.8 2.8 114 114 A 6 LEU HDx% A 6 LEU HA 1.0 1.8 5.5 115 115 A 6 LEU HA A 6 LEU HDy% 1.0 1.8 3.4 116 116 A 6 LEU HA A 6 LEU HG 1.0 1.8 3.4 117 117 A 6 LEU HA A 6 LEU HG 1.0 1.8 5.5 118 118 A 6 LEU HDx% A 6 LEU HG 1.0 1.8 3.4 119 119 A 6 LEU HDy% A 6 LEU HG 1.0 1.8 3.4 120 120 A 6 LEU H A 6 LEU HA 1.0 1.8 5.5 121 121 A 6 LEU H A 6 LEU HA 1.0 1.8 5.5 122 122 A 6 LEU H A 6 LEU HBx 1.0 1.8 3.4 123 123 A 6 LEU H A 6 LEU HBy 1.0 1.8 5.5 124 124 A 6 LEU H A 6 LEU HDx% 1.0 1.8 5.5 125 125 A 6 LEU H A 6 LEU HDy% 1.0 1.8 5.5 126 126 A 6 LEU H A 6 LEU HG 1.0 1.8 3.4 127 127 A 6 LEU H A 6 LEU HG 1.0 1.8 2.8 128 128 A 3 VAL HA A 7 LYS H 1.0 1.8 5.5 129 129 A 3 VAL HA A 7 LYS H 1.0 1.8 5.5 130 130 A 4 ASP HA A 7 LYS HBx 1.0 1.8 5.5 131 131 A 4 ASP HA A 7 LYS HBx 1.0 1.8 5.5 132 132 A 4 ASP HA A 7 LYS HBy 1.0 3.9 5.5 133 133 A 4 ASP HA A 7 LYS H 1.0 1.8 5.5 134 134 A 4 ASP HA A 7 LYS H 1.0 1.8 5.5 135 135 A 6 LEU HA A 7 LYS H 1.0 1.8 5.5 136 136 A 6 LEU HA A 7 LYS H 1.0 1.8 5.5 137 137 A 6 LEU H A 7 LYS H 1.0 1.8 5.5 138 138 A 6 LEU H A 7 LYS H 1.0 1.8 5.5 139 139 A 7 LYS HBx A 7 LYS HA 1.0 1.8 2.8 140 140 A 7 LYS HBy A 7 LYS HA 1.0 1.8 3.4 141 141 A 7 LYS HBy A 7 LYS HA 1.0 1.8 3.4 142 142 A 7 LYS HA A 7 LYS HDy 1.0 2.4 3.4 143 143 A 7 LYS HBx A 7 LYS HDy 1.0 2.4 3.4 144 144 A 7 LYS HBx A 7 LYS HDy 1.0 2.4 3.4 145 145 A 7 LYS HBy A 7 LYS HDy 1.0 1.8 2.8 146 146 A 7 LYS HBx A 7 LYS HEx 1.0 1.8 5.5 147 147 A 7 LYS HBx A 7 LYS HEx 1.0 1.8 3.4 148 148 A 7 LYS HA A 7 LYS HGx 1.0 1.8 2.8 149 149 A 7 LYS HA A 7 LYS HGy 1.0 1.8 5.5 150 150 A 7 LYS HA A 7 LYS HGy 1.0 1.8 3.4 151 151 A 7 LYS HBx A 7 LYS HGy 1.0 1.8 5.5 152 152 A 7 LYS HBy A 7 LYS HGy 1.0 1.8 5.5 153 153 A 7 LYS HDy A 7 LYS HGy 1.0 1.8 2.8 154 154 A 7 LYS HGy A 7 LYS HEy 1.0 1.8 5.5 155 155 A 7 LYS H A 7 LYS HA 1.0 1.8 3.4 156 156 A 7 LYS H A 7 LYS HA 1.0 1.8 3.4 157 157 A 7 LYS H A 7 LYS HBx 1.0 1.8 3.4 158 158 A 7 LYS H A 7 LYS HBx 1.0 1.8 3.4 159 159 A 7 LYS H A 7 LYS HBy 1.0 1.8 5.5 160 160 A 7 LYS H A 7 LYS HBy 1.0 1.8 5.5 161 161 A 7 LYS H A 7 LYS HDy 1.0 1.8 3.4 162 162 A 7 LYS H A 7 LYS HDy 1.0 1.8 3.4 163 163 A 7 LYS H A 7 LYS HGx 1.0 1.8 5.5 164 164 A 7 LYS H A 7 LYS HGx 1.0 1.8 5.5 165 165 A 7 LYS H A 7 LYS HGy 1.0 1.8 5.5 166 166 A 7 LYS H A 7 LYS HGy 1.0 1.8 5.5 167 167 A 4 ASP HA A 8 GLY H 1.0 1.8 5.5 168 168 A 6 LEU HA A 8 GLY H 1.0 1.8 5.5 169 169 A 7 LYS HBx A 8 GLY H 1.0 1.8 5.5 170 170 A 7 LYS HBx A 8 GLY H 1.0 1.8 5.5 171 171 A 7 LYS HBy A 8 GLY H 1.0 1.8 5.5 172 172 A 7 LYS HDy A 8 GLY H 1.0 1.8 5.5 173 173 A 7 LYS H A 8 GLY H 1.0 1.8 5.5 174 174 A 7 LYS H A 8 GLY H 1.0 1.8 5.5 175 175 A 8 GLY H A 8 GLY HAx 1.0 1.8 2.8 176 176 A 8 GLY H A 8 GLY HAx 1.0 1.8 3.4 177 177 A 8 GLY H A 8 GLY HAy 1.0 1.8 2.8 178 178 A 8 GLY H A 8 GLY HAy 1.0 1.8 2.8 179 179 A 6 LEU HA A 9 ALA HB% 1.0 1.8 3.4 180 180 A 6 LEU HA A 9 ALA HB% 1.0 1.8 5.5 181 181 A 8 GLY HAx A 9 ALA H 1.0 1.8 5.5 182 182 A 8 GLY HAy A 9 ALA H 1.0 1.8 3.4 183 183 A 8 GLY H A 9 ALA H 1.0 1.8 3.4 184 184 A 8 GLY H A 9 ALA H 1.0 1.8 5.5 185 185 A 9 ALA HB% A 9 ALA HA 1.0 1.8 5.5 186 186 A 9 ALA HB% A 9 ALA HA 1.0 1.8 2.8 187 187 A 9 ALA H A 9 ALA HA 1.0 1.8 3.4 188 188 A 9 ALA H A 9 ALA HA 1.0 1.8 5.5 189 189 A 9 ALA HB% A 9 ALA H 1.0 1.8 3.4 190 190 A 9 ALA HB% A 9 ALA H 1.0 1.8 2.8 191 191 A 6 LEU HA A 10 ALA H 1.0 1.8 5.5 192 192 A 6 LEU HA A 10 ALA H 1.0 1.8 5.5 193 193 A 7 LYS HA A 10 ALA HB% 1.0 1.8 5.5 194 194 A 7 LYS HA A 10 ALA H 1.0 1.8 5.5 195 195 A 7 LYS HA A 10 ALA H 1.0 1.8 5.5 196 196 A 9 ALA HA A 10 ALA H 1.0 1.8 5.5 197 197 A 9 ALA HA A 10 ALA H 1.0 1.8 5.5 198 198 A 9 ALA H A 10 ALA H 1.0 1.8 3.4 199 199 A 9 ALA H A 10 ALA H 1.0 1.8 3.4 200 200 A 10 ALA HB% A 10 ALA HA 1.0 1.8 3.4 201 201 A 10 ALA H A 10 ALA HA 1.0 1.8 3.4 202 202 A 10 ALA H A 10 ALA HA 1.0 1.8 3.4 203 203 A 10 ALA H A 10 ALA HB% 1.0 1.8 3.4 204 204 A 10 ALA H A 10 ALA HB% 1.0 1.8 2.8 205 205 A 7 LYS HA A 11 LYS H 1.0 1.8 5.5 206 206 A 8 GLY HAy A 11 LYS H 1.0 1.8 5.5 207 207 A 10 ALA HA A 11 LYS H 1.0 1.8 5.5 208 208 A 10 ALA HB% A 11 LYS H 1.0 1.8 5.5 209 209 A 10 ALA H A 11 LYS H 1.0 1.8 5.5 210 210 A 10 ALA H A 11 LYS H 1.0 1.8 5.5 211 211 A 11 LYS HA A 11 LYS HBy 1.0 1.8 2.8 212 212 A 11 LYS HA A 11 LYS HBy 1.0 1.8 2.8 213 213 A 11 LYS HA A 11 LYS HDy 1.0 1.8 5.5 214 214 A 11 LYS HA A 11 LYS HGx 1.0 1.8 5.5 215 215 A 11 LYS HA A 11 LYS HGx 1.0 1.8 5.5 216 216 A 11 LYS HBy A 11 LYS HGx 1.0 1.8 3.4 217 217 A 11 LYS HGx A 11 LYS HEy 1.0 1.8 3.4 218 218 A 11 LYS HA A 11 LYS HGy 1.0 1.8 3.4 219 219 A 11 LYS HBy A 11 LYS HGy 1.0 1.8 3.4 220 220 A 11 LYS HDy A 11 LYS HGy 1.0 1.8 3.4 221 221 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 5.5 222 222 A 11 LYS H A 11 LYS HA 1.0 1.8 3.4 223 223 A 11 LYS H A 11 LYS HA 1.0 1.8 3.4 224 224 A 11 LYS H A 11 LYS HBy 1.0 1.8 2.8 225 225 A 11 LYS H A 11 LYS HBy 1.0 1.8 2.8 226 226 A 11 LYS H A 11 LYS HDy 1.0 1.8 5.5 227 227 A 11 LYS H A 11 LYS HDy 1.0 1.8 5.5 228 228 A 11 LYS H A 11 LYS HGx 1.0 1.8 5.5 229 229 A 11 LYS H A 11 LYS HGx 1.0 1.8 5.5 230 230 A 11 LYS H A 11 LYS HGy 1.0 1.8 5.5 231 231 A 11 LYS H A 11 LYS HGy 1.0 1.8 5.5 232 232 A 8 GLY HAy A 12 ASP H 1.0 1.8 5.5 233 233 A 8 GLY HAy A 12 ASP H 1.0 1.8 5.5 234 234 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.5 235 235 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.5 236 236 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.5 237 237 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.5 238 238 A 9 ALA HA A 12 ASP H 1.0 1.8 5.5 239 239 A 9 ALA HA A 12 ASP H 1.0 1.8 5.5 240 240 A 9 ALA HB% A 12 ASP H 1.0 1.8 5.5 241 241 A 10 ALA HA A 12 ASP H 1.0 1.8 5.5 242 242 A 11 LYS HA A 12 ASP H 1.0 1.8 5.5 243 243 A 11 LYS HBy A 12 ASP H 1.0 1.8 3.4 244 244 A 11 LYS H A 12 ASP H 1.0 1.8 3.4 245 245 A 11 LYS H A 12 ASP H 1.0 1.8 5.5 246 246 A 12 ASP HBx A 12 ASP HA 1.0 1.8 5.5 247 247 A 12 ASP HBx A 12 ASP HA 1.0 1.8 3.4 248 248 A 12 ASP HBy A 12 ASP HA 1.0 1.8 2.8 249 249 A 12 ASP HBy A 12 ASP HA 1.0 1.8 5.5 250 250 A 12 ASP H A 12 ASP HA 1.0 1.8 3.4 251 251 A 12 ASP H A 12 ASP HA 1.0 1.8 5.5 252 252 A 12 ASP H A 12 ASP HBx 1.0 1.8 3.4 253 253 A 12 ASP H A 12 ASP HBx 1.0 1.8 3.4 254 254 A 12 ASP H A 12 ASP HBy 1.0 1.8 3.4 255 255 A 12 ASP H A 12 ASP HBy 1.0 1.8 3.4 256 256 A 10 ALA HA A 13 ILE HB 1.0 1.8 3.4 257 257 A 11 LYS HA A 13 ILE H 1.0 1.8 5.5 258 258 A 12 ASP HA A 13 ILE H 1.0 1.8 5.5 259 259 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.5 260 260 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.5 261 261 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.5 262 262 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.5 263 263 A 12 ASP H A 13 ILE H 1.0 1.8 3.4 264 264 A 12 ASP H A 13 ILE H 1.0 1.8 5.5 265 265 A 13 ILE HB A 13 ILE HA 1.0 1.8 5.5 266 266 A 13 ILE HB A 13 ILE HA 1.0 1.8 3.4 267 267 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.5 268 268 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.5 269 269 A 13 ILE HB A 13 ILE HD1% 1.0 1.8 3.4 270 270 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 5.5 271 271 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 3.4 272 272 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 5.5 273 273 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 3.4 274 274 A 13 ILE HD1% A 13 ILE HG1y 1.0 1.8 3.4 275 275 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 5.5 276 276 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 5.5 277 277 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 5.5 278 278 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 3.4 279 279 A 13 ILE H A 13 ILE HA 1.0 1.8 5.5 280 280 A 13 ILE H A 13 ILE HA 1.0 1.8 5.5 281 281 A 13 ILE HB A 13 ILE H 1.0 1.8 3.4 282 282 A 13 ILE HB A 13 ILE H 1.0 1.8 3.4 283 283 A 13 ILE H A 13 ILE HD1% 1.0 1.8 5.5 284 284 A 13 ILE H A 13 ILE HD1% 1.0 1.8 5.5 285 285 A 13 ILE H A 13 ILE HG1x 1.0 1.8 5.5 286 286 A 13 ILE H A 13 ILE HG1x 1.0 1.8 5.5 287 287 A 13 ILE H A 13 ILE HG1y 1.0 1.8 5.5 288 288 A 13 ILE H A 13 ILE HG1y 1.0 1.8 5.5 289 289 A 13 ILE H A 13 ILE HG2% 1.0 1.8 5.5 290 290 A 13 ILE H A 13 ILE HG2% 1.0 1.8 5.5 291 291 A 11 LYS HA A 14 ALA HB% 1.0 1.8 5.5 292 292 A 11 LYS HA A 14 ALA H 1.0 1.8 5.5 293 293 A 11 LYS HA A 14 ALA H 1.0 1.8 5.5 294 294 A 12 ASP HA A 14 ALA H 1.0 1.8 5.5 295 295 A 13 ILE HA A 14 ALA H 1.0 1.8 5.5 296 296 A 13 ILE HA A 14 ALA H 1.0 1.8 5.5 297 297 A 13 ILE HB A 14 ALA H 1.0 1.8 3.4 298 298 A 13 ILE HB A 14 ALA H 1.0 1.8 3.4 299 299 A 13 ILE HD1% A 14 ALA H 1.0 1.8 5.5 300 300 A 13 ILE HG1x A 14 ALA H 1.0 1.8 5.5 301 301 A 13 ILE HG2% A 14 ALA H 1.0 1.8 5.5 302 302 A 13 ILE H A 14 ALA H 1.0 1.8 3.4 303 303 A 13 ILE H A 14 ALA H 1.0 1.8 3.4 304 304 A 14 ALA HB% A 14 ALA HA 1.0 1.8 2.8 305 305 A 14 ALA HB% A 14 ALA HA 1.0 1.8 2.8 306 306 A 14 ALA H A 14 ALA HA 1.0 1.8 2.8 307 307 A 14 ALA H A 14 ALA HA 1.0 1.8 3.4 308 308 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 309 309 A 14 ALA HB% A 14 ALA H 1.0 1.8 2.8 310 310 A 11 LYS HA A 15 GLY H 1.0 1.8 5.5 311 311 A 12 ASP HA A 15 GLY H 1.0 1.8 5.5 312 312 A 13 ILE HA A 15 GLY H 1.0 1.8 5.5 313 313 A 13 ILE HA A 15 GLY H 1.0 1.8 5.5 314 314 A 14 ALA HA A 15 GLY H 1.0 1.8 5.5 315 315 A 14 ALA H A 15 GLY H 1.0 1.8 5.5 316 316 A 14 ALA H A 15 GLY H 1.0 1.8 3.4 317 317 A 15 GLY H A 15 GLY HAx 1.0 1.8 2.8 318 318 A 15 GLY H A 15 GLY HAx 1.0 1.8 2.8 319 319 A 15 GLY H A 15 GLY HAy 1.0 1.8 2.8 320 320 A 15 GLY H A 15 GLY HAy 1.0 1.8 2.8 321 321 A 12 ASP HA A 16 HIS HD2 1.0 1.8 5.5 322 322 A 13 ILE HA A 16 HIS HBy 1.0 1.8 5.5 323 323 A 13 ILE HA A 16 HIS HBy 1.0 1.8 5.5 324 324 A 13 ILE HA A 16 HIS HD2 1.0 1.8 5.5 325 325 A 13 ILE HA A 16 HIS HD2 1.0 1.8 5.5 326 326 A 13 ILE HA A 16 HIS H 1.0 1.8 5.5 327 327 A 13 ILE HA A 16 HIS H 1.0 1.8 5.5 328 328 A 14 ALA HA A 16 HIS H 1.0 1.8 5.5 329 329 A 14 ALA HA A 16 HIS H 1.0 3.9 5.5 330 330 A 15 GLY HAx A 16 HIS H 1.0 1.8 5.5 331 331 A 16 HIS HBy A 16 HIS HA 1.0 1.8 2.8 332 332 A 16 HIS HD2 A 16 HIS HA 1.0 1.8 5.5 333 333 A 16 HIS HD2 A 16 HIS HBy 1.0 1.8 3.4 334 334 A 16 HIS HD2 A 16 HIS HBy 1.0 1.8 5.5 335 335 A 16 HIS H A 16 HIS HA 1.0 1.8 3.4 336 336 A 16 HIS HBy A 16 HIS H 1.0 1.8 2.8 337 337 A 16 HIS HBy A 16 HIS H 1.0 1.8 3.4 338 338 A 16 HIS HD2 A 16 HIS H 1.0 1.8 5.5 339 339 A 16 HIS HD2 A 16 HIS H 1.0 1.8 5.5 340 340 A 13 ILE HA A 17 LEU H 1.0 1.8 5.5 341 341 A 14 ALA HA A 17 LEU HBx 1.0 1.8 5.5 342 342 A 14 ALA HA A 17 LEU HBx 1.0 1.8 5.5 343 343 A 14 ALA HA A 17 LEU HBy 1.0 1.8 5.5 344 344 A 16 HIS HA A 17 LEU H 1.0 1.8 5.5 345 345 A 16 HIS HBy A 17 LEU H 1.0 1.8 5.5 346 346 A 16 HIS HBy A 17 LEU H 1.0 1.8 5.5 347 347 A 16 HIS H A 17 LEU H 1.0 1.8 3.4 348 348 A 16 HIS H A 17 LEU H 1.0 1.8 3.4 349 349 A 17 LEU HBx A 17 LEU HA 1.0 1.8 3.4 350 350 A 17 LEU HBx A 17 LEU HA 1.0 1.8 2.8 351 351 A 17 LEU HBy A 17 LEU HA 1.0 1.8 3.4 352 352 A 17 LEU HBy A 17 LEU HA 1.0 1.8 2.8 353 353 A 17 LEU HA A 17 LEU HDx% 1.0 1.8 2.8 354 354 A 17 LEU HA A 17 LEU HDx% 1.0 1.8 3.4 355 355 A 17 LEU HBx A 17 LEU HDx% 1.0 1.8 2.8 356 356 A 17 LEU HA A 17 LEU HDy% 1.0 1.8 5.5 357 357 A 17 LEU HA A 17 LEU HDy% 1.0 1.8 5.5 358 358 A 17 LEU HBx A 17 LEU HDy% 1.0 3.9 5.5 359 359 A 17 LEU HBx A 17 LEU HG 1.0 1.8 3.4 360 360 A 17 LEU HDx% A 17 LEU HG 1.0 1.8 5.5 361 361 A 17 LEU HDy% A 17 LEU HG 1.0 1.8 5.5 362 362 A 17 LEU H A 17 LEU HA 1.0 1.8 5.5 363 363 A 17 LEU H A 17 LEU HA 1.0 1.8 5.5 364 364 A 17 LEU H A 17 LEU HBx 1.0 1.8 2.8 365 365 A 17 LEU H A 17 LEU HBx 1.0 1.8 5.5 366 366 A 17 LEU H A 17 LEU HBy 1.0 1.8 5.5 367 367 A 17 LEU H A 17 LEU HBy 1.0 1.8 5.5 368 368 A 17 LEU H A 17 LEU HDx% 1.0 1.8 5.5 369 369 A 17 LEU H A 17 LEU HDy% 1.0 1.8 5.5 370 370 A 15 GLY HAx A 18 ALA H 1.0 1.8 5.5 371 371 A 15 GLY HAy A 18 ALA H 1.0 1.8 5.5 372 372 A 15 GLY HAy A 18 ALA H 1.0 1.8 5.5 373 373 A 16 HIS HA A 18 ALA H 1.0 1.8 5.5 374 374 A 17 LEU HA A 18 ALA H 1.0 1.8 5.5 375 375 A 17 LEU HA A 18 ALA H 1.0 1.8 5.5 376 376 A 17 LEU HBx A 18 ALA H 1.0 1.8 3.4 377 377 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.5 378 378 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.5 379 379 A 17 LEU H A 18 ALA H 1.0 1.8 3.4 380 380 A 17 LEU H A 18 ALA H 1.0 1.8 3.4 381 381 A 18 ALA H A 18 ALA HA 1.0 1.8 2.8 382 382 A 18 ALA H A 18 ALA HA 1.0 1.8 2.8 383 383 A 18 ALA H A 18 ALA HB% 1.0 1.8 5.5 384 384 A 16 HIS HA A 19 SER H 1.0 1.8 5.5 385 385 A 18 ALA HA A 19 SER H 1.0 1.8 3.4 386 386 A 18 ALA HA A 19 SER H 1.0 1.8 5.5 387 387 A 18 ALA HB% A 19 SER H 1.0 1.8 5.5 388 388 A 18 ALA H A 19 SER H 1.0 1.8 5.5 389 389 A 18 ALA H A 19 SER H 1.0 1.8 5.5 390 390 A 19 SER HBy A 19 SER HA 1.0 1.8 2.8 391 391 A 19 SER HBy A 19 SER HA 1.0 1.8 2.8 392 392 A 19 SER H A 19 SER HA 1.0 1.8 3.4 393 393 A 19 SER H A 19 SER HA 1.0 1.8 3.4 394 394 A 19 SER H A 19 SER HBy 1.0 1.8 3.4 395 395 A 19 SER H A 19 SER HBy 1.0 1.8 2.8 396 396 A 19 SER HBy A 20 LYS H 1.0 1.8 5.5 397 397 A 19 SER HBy A 20 LYS H 1.0 1.8 3.4 398 398 A 19 SER H A 20 LYS H 1.0 1.8 2.8 399 399 A 19 SER H A 20 LYS H 1.0 1.8 5.5 400 400 A 20 LYS HBx A 20 LYS HA 1.0 1.8 3.4 401 401 A 20 LYS HBx A 20 LYS HA 1.0 1.8 3.4 402 402 A 20 LYS HA A 20 LYS HBy 1.0 1.8 3.4 403 403 A 20 LYS HBx A 20 LYS HEy 1.0 1.8 5.5 404 404 A 20 LYS HEy A 20 LYS HGx 1.0 1.8 3.4 405 405 A 20 LYS HEy A 20 LYS HGy 1.0 1.8 3.4 406 406 A 20 LYS H A 20 LYS HA 1.0 1.8 2.8 407 407 A 20 LYS H A 20 LYS HA 1.0 1.8 5.5 408 408 A 20 LYS H A 20 LYS HBx 1.0 1.8 3.4 409 409 A 20 LYS H A 20 LYS HBx 1.0 1.8 3.4 410 410 A 20 LYS H A 20 LYS HBy 1.0 1.8 3.4 411 411 A 20 LYS H A 20 LYS HBy 1.0 1.8 5.5 412 412 A 20 LYS H A 20 LYS HDy 1.0 1.8 3.4 413 413 A 20 LYS H A 20 LYS HDy 1.0 1.8 3.4 414 414 A 20 LYS H A 20 LYS HGx 1.0 1.8 5.5 415 415 A 20 LYS H A 20 LYS HGy 1.0 1.8 5.5 416 416 A 20 LYS H A 20 LYS HGy 1.0 1.8 5.5 417 417 A 17 LEU HA A 21 VAL H 1.0 1.8 5.5 418 418 A 17 LEU HA A 21 VAL H 1.0 1.8 5.5 419 419 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.5 420 420 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.5 421 421 A 18 ALA HA A 21 VAL H 1.0 1.8 5.5 422 422 A 20 LYS HBx A 21 VAL H 1.0 1.8 5.5 423 423 A 20 LYS HBy A 21 VAL H 1.0 1.8 5.5 424 424 A 20 LYS H A 21 VAL H 1.0 1.8 3.4 425 425 A 20 LYS H A 21 VAL H 1.0 1.8 3.4 426 426 A 21 VAL HB A 21 VAL HA 1.0 1.8 3.4 427 427 A 21 VAL HB A 21 VAL HA 1.0 1.8 3.4 428 428 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 5.5 429 429 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 5.5 430 430 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 3.4 431 431 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 5.5 432 432 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 5.5 433 433 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 5.5 434 434 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 3.4 435 435 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 5.5 436 436 A 21 VAL HGx% A 21 VAL HGy% 1.0 1.8 5.5 437 437 A 21 VAL H A 21 VAL HA 1.0 1.8 3.4 438 438 A 21 VAL H A 21 VAL HA 1.0 1.8 3.4 439 439 A 21 VAL H A 21 VAL HB 1.0 1.8 2.8 440 440 A 21 VAL H A 21 VAL HB 1.0 1.8 3.4 441 441 A 21 VAL H A 21 VAL HGx% 1.0 1.8 5.5 442 442 A 21 VAL H A 21 VAL HGx% 1.0 1.8 5.5 443 443 A 21 VAL H A 21 VAL HGy% 1.0 1.8 5.5 444 444 A 21 VAL H A 21 VAL HGy% 1.0 1.8 5.5 445 445 A 19 SER HA A 22 MET HBy 1.0 1.8 5.5 446 446 A 19 SER HA A 22 MET H 1.0 1.8 5.5 447 447 A 19 SER HA A 22 MET H 1.0 1.8 3.4 448 448 A 20 LYS H A 22 MET H 1.0 1.8 5.5 449 449 A 21 VAL HA A 22 MET H 1.0 1.8 5.5 450 450 A 21 VAL HA A 22 MET H 1.0 1.8 5.5 451 451 A 21 VAL HB A 22 MET H 1.0 1.8 3.4 452 452 A 21 VAL HB A 22 MET H 1.0 1.8 3.4 453 453 A 21 VAL HGx% A 22 MET H 1.0 1.8 5.5 454 454 A 21 VAL HGy% A 22 MET H 1.0 1.8 5.5 455 455 A 21 VAL H A 22 MET H 1.0 1.8 2.8 456 456 A 22 MET HBy A 22 MET HA 1.0 1.8 3.4 457 457 A 22 MET HBy A 22 MET HA 1.0 1.8 2.8 458 458 A 22 MET HA A 22 MET HGx 1.0 1.8 5.5 459 459 A 22 MET HA A 22 MET HGx 1.0 1.8 5.5 460 460 A 22 MET HBy A 22 MET HGx 1.0 1.8 2.8 461 461 A 22 MET HBy A 22 MET HGx 1.0 1.8 3.4 462 462 A 22 MET HA A 22 MET HGy 1.0 1.8 5.5 463 463 A 22 MET HA A 22 MET HGy 1.0 1.8 5.5 464 464 A 22 MET HBy A 22 MET HGy 1.0 1.8 3.4 465 465 A 22 MET HBy A 22 MET HGy 1.0 1.8 3.4 466 466 A 22 MET H A 22 MET HA 1.0 1.8 3.4 467 467 A 22 MET H A 22 MET HA 1.0 1.8 5.5 468 468 A 22 MET HBy A 22 MET H 1.0 1.8 2.8 469 469 A 22 MET HBy A 22 MET H 1.0 1.8 3.4 470 470 A 22 MET H A 22 MET HGx 1.0 1.8 5.5 471 471 A 22 MET H A 22 MET HGx 1.0 1.8 5.5 472 472 A 22 MET H A 22 MET HGy 1.0 1.8 5.5 473 473 A 19 SER HBy A 23 ASN HD2y 1.0 1.8 5.5 474 473 A 19 SER HBy A 23 ASN HD2x 1.0 1.8 5.5 475 474 A 19 SER HBy A 23 ASN HD2x 1.0 1.8 5.5 476 475 A 20 LYS HA A 23 ASN HBx 1.0 1.8 5.5 477 476 A 20 LYS HA A 23 ASN HBx 1.0 1.8 5.5 478 477 A 20 LYS HA A 23 ASN HBy 1.0 1.8 5.5 479 478 A 20 LYS HA A 23 ASN HBy 1.0 1.8 5.5 480 479 A 20 LYS HA A 23 ASN HD2y 1.0 1.8 5.5 481 479 A 20 LYS HA A 23 ASN HD2x 1.0 1.8 5.5 482 480 A 20 LYS HA A 23 ASN HD2x 1.0 1.8 5.5 483 481 A 21 VAL HA A 23 ASN H 1.0 1.8 5.5 484 482 A 21 VAL HB A 23 ASN H 1.0 1.8 5.5 485 483 A 22 MET HA A 23 ASN H 1.0 1.8 5.5 486 484 A 22 MET HBy A 23 ASN H 1.0 1.8 3.4 487 485 A 22 MET HBy A 23 ASN H 1.0 1.8 5.5 488 486 A 22 MET HGx A 23 ASN H 1.0 1.8 5.5 489 487 A 22 MET H A 23 ASN H 1.0 1.8 3.4 490 488 A 22 MET H A 23 ASN H 1.0 1.8 3.4 491 489 A 23 ASN HBx A 23 ASN HA 1.0 1.8 5.5 492 490 A 23 ASN HBx A 23 ASN HA 1.0 1.8 2.8 493 491 A 23 ASN HBy A 23 ASN HA 1.0 1.8 5.5 494 492 A 23 ASN HBy A 23 ASN HA 1.0 1.8 2.8 495 493 A 23 ASN HA A 23 ASN HD2y 1.0 1.8 5.5 496 493 A 23 ASN HD2x A 23 ASN HA 1.0 1.8 5.5 497 494 A 23 ASN HBx A 23 ASN HD2y 1.0 1.8 5.5 498 494 A 23 ASN HD2x A 23 ASN HBx 1.0 1.8 5.5 499 495 A 23 ASN HBx A 23 ASN HD2y 1.0 1.8 5.5 500 495 A 23 ASN HD2x A 23 ASN HBx 1.0 1.8 5.5 501 496 A 23 ASN HBy A 23 ASN HD2y 1.0 1.8 5.5 502 496 A 23 ASN HD2x A 23 ASN HBy 1.0 1.8 5.5 503 497 A 23 ASN HBy A 23 ASN HD2y 1.0 1.8 5.5 504 497 A 23 ASN HD2x A 23 ASN HBy 1.0 1.8 5.5 505 498 A 23 ASN HD2x A 23 ASN HA 1.0 1.8 5.5 506 499 A 23 ASN HD2x A 23 ASN HBx 1.0 1.8 5.5 507 500 A 23 ASN HD2x A 23 ASN HBx 1.0 1.8 5.5 508 501 A 23 ASN HD2x A 23 ASN HBy 1.0 1.8 5.5 509 502 A 23 ASN H A 23 ASN HA 1.0 1.8 2.8 510 503 A 23 ASN H A 23 ASN HA 1.0 1.8 5.5 511 504 A 23 ASN HBx A 23 ASN H 1.0 2.4 3.4 512 505 A 23 ASN HBy A 23 ASN H 1.0 1.8 3.4 513 506 A 23 ASN HBy A 23 ASN H 1.0 1.8 2.8 514 507 A 23 ASN H A 23 ASN HD2y 1.0 1.8 5.5 515 507 A 23 ASN HD2x A 23 ASN H 1.0 1.8 5.5 516 508 A 20 LYS HA A 24 LYS H 1.0 1.8 5.5 517 509 A 20 LYS HA A 24 LYS H 1.0 1.8 5.5 518 510 A 21 VAL HA A 24 LYS HBy 1.0 1.8 5.5 519 511 A 21 VAL HA A 24 LYS HBy 1.0 1.8 5.5 520 512 A 21 VAL HA A 24 LYS H 1.0 1.8 5.5 521 513 A 21 VAL HA A 24 LYS H 1.0 1.8 5.5 522 514 A 22 MET H A 24 LYS H 1.0 1.8 5.5 523 515 A 23 ASN HA A 24 LYS H 1.0 1.8 5.5 524 516 A 23 ASN HA A 24 LYS H 1.0 1.8 5.5 525 517 A 23 ASN HBx A 24 LYS H 1.0 1.8 5.5 526 518 A 23 ASN HBy A 24 LYS H 1.0 1.8 5.5 527 519 A 23 ASN HBy A 24 LYS H 1.0 1.8 5.5 528 520 A 23 ASN H A 24 LYS H 1.0 1.8 3.4 529 521 A 23 ASN H A 24 LYS H 1.0 1.8 3.4 530 522 A 24 LYS HBy A 24 LYS HA 1.0 1.8 2.8 531 523 A 24 LYS HBy A 24 LYS HA 1.0 1.8 2.8 532 524 A 24 LYS HA A 24 LYS HDy 1.0 1.8 3.4 533 525 A 24 LYS HBy A 24 LYS HGx 1.0 1.8 3.4 534 526 A 24 LYS HGx A 24 LYS HEy 1.0 1.8 5.5 535 527 A 24 LYS HGx A 24 LYS HEy 1.0 1.8 3.4 536 528 A 24 LYS HBy A 24 LYS HGy 1.0 1.8 2.8 537 529 A 24 LYS HEy A 24 LYS HGy 1.0 1.8 5.5 538 530 A 24 LYS H A 24 LYS HA 1.0 1.8 3.4 539 531 A 24 LYS H A 24 LYS HA 1.0 1.8 5.5 540 532 A 24 LYS H A 24 LYS HBy 1.0 1.8 2.8 541 533 A 24 LYS H A 24 LYS HBy 1.0 1.8 2.8 542 534 A 24 LYS H A 24 LYS HDy 1.0 1.8 5.5 543 535 A 24 LYS H A 24 LYS HDy 1.0 1.8 5.5 544 536 A 24 LYS H A 24 LYS HGx 1.0 1.8 5.5 545 537 A 24 LYS H A 24 LYS HGx 1.0 1.8 5.5 546 538 A 24 LYS H A 24 LYS HGy 1.0 1.8 5.5 547 539 A 24 LYS H A 24 LYS HGy 1.0 1.8 5.5 548 540 A 23 ASN HA A 25 LEU H 1.0 1.8 5.5 549 541 A 24 LYS HA A 25 LEU H 1.0 1.8 5.5 550 542 A 24 LYS HA A 25 LEU H 1.0 1.8 5.5 551 543 A 24 LYS HBy A 25 LEU H 1.0 1.8 3.4 552 544 A 24 LYS HBy A 25 LEU H 1.0 1.8 3.4 553 545 A 24 LYS H A 25 LEU H 1.0 1.8 2.8 554 546 A 24 LYS H A 25 LEU H 1.0 1.8 3.4 555 547 A 25 LEU H A 25 LEU HA 1.0 1.8 2.8 556 548 A 25 LEU H A 25 LEU HA 1.0 1.8 3.4 557 549 A 25 LEU H A 25 LEU HBx 1.0 1.8 3.4 558 550 A 25 LEU H A 25 LEU HBx 1.0 1.8 2.8 559 551 A 25 LEU H A 25 LEU HBy 1.0 1.8 5.5 560 552 A 25 LEU H A 25 LEU HBy 1.0 1.8 3.4 561 553 A 25 LEU H A 25 LEU HDx% 1.0 1.8 5.5 562 554 A 25 LEU H A 25 LEU HDx% 1.0 1.8 5.5 563 555 A 25 LEU H A 25 LEU HDy% 1.0 1.8 5.5 564 556 A 25 LEU H A 25 LEU HG 1.0 1.8 3.4 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 GLY C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -70.25 -52.53 PHI 2 2 A 2 VAL C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -73.37 -52.07 PHI 3 3 A 3 VAL C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -69.77 -55.57 PHI 4 4 A 4 ASP C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -82.70 -53.06 PHI 5 5 A 5 ILE C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -68.64 -57.04 PHI 6 6 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -72.47 -49.81 PHI 7 7 A 7 LYS C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -74.91 -51.09 PHI 8 8 A 8 GLY C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -76.71 -49.83 PHI 9 9 A 9 ALA C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -70.43 -56.41 PHI 10 10 A 10 ALA C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -75.30 -52.30 PHI 11 11 A 11 LYS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -75.33 -57.39 PHI 12 12 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -78.50 -55.98 PHI 13 13 A 13 ILE C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -71.14 -48.56 PHI 14 14 A 14 ALA C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -92.36 -39.34 PHI 15 15 A 15 GLY C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -73.27 -52.97 PHI 16 16 A 16 HIS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -101.94 -37.44 PHI 17 17 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -104.43 -37.63 PHI 18 18 A 19 SER C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -72.12 -46.10 PHI 19 19 A 20 LYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -74.37 -59.37 PHI 20 20 A 21 VAL C A 22 MET N A 22 MET CA A 22 MET C 1.0 -71.87 -50.07 PHI 21 21 A 22 MET C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 -79.15 -53.55 PHI 22 22 A 23 ASN C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -84.02 -58.38 PHI 23 23 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 VAL N 1.0 -62.60 -27.44 PSI 24 24 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 ASP N 1.0 -57.11 -29.79 PSI 25 25 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ILE N 1.0 -52.42 -29.56 PSI 26 26 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 LEU N 1.0 -55.85 -31.39 PSI 27 27 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 -52.45 -31.71 PSI 28 28 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLY N 1.0 -57.29 -34.53 PSI 29 29 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 ALA N 1.0 -59.72 -23.22 PSI 30 30 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ALA N 1.0 -49.00 -32.76 PSI 31 31 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LYS N 1.0 -52.13 -26.57 PSI 32 32 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ASP N 1.0 -54.78 -29.62 PSI 33 33 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -57.32 -25.54 PSI 34 34 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 ALA N 1.0 -55.45 -30.93 PSI 35 35 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 GLY N 1.0 -64.21 -11.93 PSI 36 36 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 HIS N 1.0 -62.82 -15.56 PSI 37 37 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 LEU N 1.0 -62.02 -15.38 PSI 38 38 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -65.33 0.11 PSI 39 39 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 SER N 1.0 -54.08 4.02 PSI 40 40 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 VAL N 1.0 -56.41 -16.93 PSI 41 41 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 MET N 1.0 -52.71 -28.29 PSI 42 42 A 22 MET N A 22 MET CA A 22 MET C A 23 ASN N 1.0 -54.63 -26.41 PSI 43 43 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 LYS N 1.0 -51.98 -28.00 PSI 44 44 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 LEU N 1.0 -57.90 -6.04 PSI stop_ save_